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Related entries of code: 6bl1
Entries with 90% protein sequence similarity cutoff in PDBbind
PDB CodeCheck DatabaseProtein Sequence Similarity
6bkxRCSB PDB    PDBbind425aa, >6BKX_1|Chains... *
6bkyRCSB PDB    PDBbind425aa, >6BKY_1|Chains... at 100%
6bl2RCSB PDB    PDBbind425aa, >6BL2_1|Chains... at 100%
6q6fRCSB PDB    PDBbind414aa, >6Q6F_1|Chains... at 99%
Complexes with the same small molecule ligand
PDB CodeCheck DatabaseLigand Name
No complexes with the same small molecule ligand are found!
Entry Information
PDB ID6bl1
Complex TypeProtein-Ligand
PDBbind Subsetgeneral set
Protein NameIsocitrate dehydrogenase [NADP] cytoplasmic
Ligand NameDWG
EC.Number E.C.1.1.1.42
Resolution 2.02(Å)
Affinity (Kd/Ki/IC50)IC50=110nM
Release Year2018
Protein/NA SequenceCheck fasta file
Primary Reference (2018) J. Med. Chem. Vol. 61: pp. 6647-6657
Ligand Properties
Formula C26H24N4O
Molecular Weight 408.495
Exact Mass 408.195
No. of atoms 55
No. of bonds 59
Polar Surface Area 78.67
LOGP Value 5.04      (Computed with XLOGP3)
4.89      (Computed with Open Babel)
Drug likeness No. of Hydrogen Bond Donors: 1
No. of Hydrogen Bond Acceptors: 4
No. of Rotatable Bonds: 3
No. of Nitrogen and Oxygen Atoms: 5
No. of Rings: 5
Canonical SMILES
InChI String

Links to External Databases
RCSB PDBThe mother database
PDBsumEnhanced annotations on PDB entries
PubchemComprehensive collection of chemical and biological data
UniProtKB ACUniProt accession number (AC): O75874  
Entrez Gene IDNCBI Entrez Gene ID: 3417  
ASDInformation of known allosteric effects of PDB entries
 
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